SCHEMBL3780264

SCHEMBL3780264

Cc1ccncc1N1CC[N+](C)(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MAPT P10636 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
PDE9A O76083 4/20 0.34
CYP17A1 P05093 9/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CYP1A2 P05177 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3785203 0.74 CYP11B2 (0.46) MAPTCYP11B1CYP11B2
SCHEMBL3781174 0.73 SCN9A (0.40) MAPTPDE9ACYP17A1CA12CA1
SCHEMBL3783146 0.71 MAPT (0.39) MAPTPDE9ACYP17A1CA12CA1
SCHEMBL18949756 0.69 MAPT (0.54) KEAP1NFE2L2MAPTCA12CA1
SCHEMBL15945054 0.69 CYP17A1 (0.47) MAPTCYP17A1
SCHEMBL3791621 0.69 MEN1 (0.56) CYP17A1CYP1A2
SCHEMBL3784020 0.68 CYP17A1 (0.42) CYP17A1
SCHEMBL807995 0.68 CYP11B2 (0.42) MAPTSIRT3TDP1CYP11B1CYP11B2
SCHEMBL27897063 0.68 HDAC1 (0.52) CYP17A1CYP11B2
SCHEMBL807907 0.68 CYP11B2 (0.43) MAPTCYP17A1CYP11B1CYP11B2CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 US disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 US disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100331326-A1 Inhibitors of CYP 17 CYP17A1, CYP21A2, CYP4A22 KEAP1 507/4885NFE2L2 1391/4885MAPT 3491/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 KEAP1 507/4885NFE2L2 1391/4885MAPT 3491/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.